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Year of first isolation: |
2025 |
| Formula: | C30H48O7 |
| Molecular weight: | 520 |
| Occurence in plants: |
Aspergillus sp. BCXT-22.1 (Fungi) » 
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| Occurence in animals: |
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Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@](C)([C@H](O)C[C@@H](C)C(C)C)O)=O)([H])C[C@@H](OC(C)=O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14S,17S)-17-((2R,3R,5R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl)-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | HSLORDIWKOAAHI-RSVVLZDVSA-N | | InChI | InChI=1S/C30H48O7/c1-16(2)17(3)12-26(34)29(7,35)25-9-11-30(36)20-13-22(32)21-14-24(37-18(4)31)23(33)15-27(21,5)19(20)8-10-28(25,30)6/h13,16-17,19,21,23-26,33-36H,8-12,14-15H2,1-7H3/t17-,19?,21+,23+,24-,25+,26-,27-,28-,29-,30-/m1/s1 |
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| HR-ESI-MS m/z | 555.3080 [M+Cl]- (calc. 555.3094 for C30H48ClO7); 521.3479 [M+H]+ (calc. 521.3473 for C30H49O7) |
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| C5D5N | | 01 | 38.5 | | 02 | 66.0 | | 03 | 71.2 | | 04 | 29.5 | | 05 | 51.9 | | 06 | 202.5 | | 07 | 121.4 | | 08 | 166.5 | | 09 | 34.3 | | 10 | 38.5 | | 11 | 21.0 | | 12 | 31.9 | | 13 | 48.0 | | 14 | 84.0 | | 15 | 31.6 | | 16 | 21.3 | | 17 | 49.8 | | 18 | 17.8 | | 19 | 24.2 | | 20 | 76.8 | | 21 | 21.4 | | 22 | 74.0 | | 23 | 36.7 | | 24 | 35.5 | | 25 | 33.6 | | 26 | 20.1 | | 27 | 18.6 | | 28 | 15.1 | | 3-OAc | 170.6 | | | 21.0 |
| CD3OD | | 01 | 38.4 | | 02 | 67.1 | | 03 | 71.8 | | 04 | 30.3 | | 05 | 52.6 | | 06 | 205.4 | | 07 | 122.0 | | 08 | 168.3 | | 09 | 35.2 | | 10 | 39.2 | | 11 | 21.4 | | 12 | 32.5 | | 13 | 48.7 | | 14 | 85.2 | | 15 | 31.8 | | 16 | 21.6 | | 17 | 50.4 | | 18 | 18.1 | | 19 | 24.3 | | 20 | 77.9 | | 21 | 21.0 | | 22 | 75.2 | | 23 | 37.1 | | 24 | 36.2 | | 25 | 34.7 | | 26 | 20.4 | | 27 | 18.8 | | 28 | 15.2 | | 3-OAc | 172.6 | | | 21.1 |
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| C5D5N | | 01-Ha | 1.82 (m) | | 01-Hb | 2.23 (dd, 3.0, 13.5) | | 02-Ha | 4.28 (m) | | 03-He | 5.46 (brs) | | 04-Ha | 1.96 (m) | | 04-Hb | 1.78 (m) | | 05-H | 2.62 (m) | | 07-H | 6.22 (s) | | 09-H | 3.56 (brs) | | 11-Ha | 1.84 (m) | | 11-Hb | 1.72 (m) | | 12-Ha | 2.55 (m) | | 12-Hb | 2.00 (m) | | 15-Ha | 2.16 (m) | | 15-Hb | 1.92 (m) | | 16-Ha | 2.44 (m) | | 16-Hb | 2.06 (m) | | 17-H | 2.88 (m) | | 18-Me | 1.20 (s) | | 19-Me | 1.05 (s) | | 21-Me | 1.57 (s) | | 22-H | 3.90 (d, 10.5) | | 23-Ha | 1.62 (m) | | 23-Hb | 1.44 (m) | | 24-H | 1.93 (m) | | 25-H | 1.49 (m) | | 26-Me | 0.80 (d, 6.5) | | 27-Me | 0.78 (d, 6.5) | | 28-Me | 0.84 (d, 6.5) | | 3-OAc | 1.99 (s) |
| CD3OD | | 01-Ha | 1.95 (m) | | 01-Hb | 1.45 (t, 12.5) | | 02-Ha | 4.00 (dt, 4.0, 12.0) | | 03-He | 5.17 (brd, 2.5) | | 04-Ha | 1.80 (m) | | 04-Hb | | | 05-H | 2.26 (dd,5.0, 12.5) | | 07-H | 5.85 (d, 2.5) | | 09-H | 3.18 (m) | | 11-Ha | 2.01 (m) | | 11-Hb | 1.73 (m) | | 12-Ha | 2.16 (m) | | 12-Hb | 1.90 (m) | | 15-Ha | 2.00 (m) | | 15-Hb | 1.61 (m) | | 16-Ha | 1.84 (m) | | 16-Hb | 1.73 (m) | | 17-H | 2.38 (m) | | 18-Me | 0.92 (s) | | 19-Me | 1.02 (s) | | 21-Me | 1.20 (s) | | 22-H | 3.49 (dd, 1.5, 11.0) | | 23-Ha | 1.32 (m) | | 23-Hb | 1.27 (m) | | 24-H | 1.62 (m) | | 25-H | 1.57 (m) | | 26-Me | 0.93 (d,6.5) | | 27-Me | 0.89 (d, 6.5) | | 28-Me | 0.88 (d, 6.5) | | 3-OAc | 2.13 (s) |
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| M.P. | — °C ; | | [α]D26 | - 27.5° (c 0.08 ; MeOH) | | IR (KBr) ν max (cm-1) | 3370, 2963, 29.34, 1648, 1443, 1377, 1032 | | UV (MeOH) λ max (log ε) | 241 nm (3.96) ; |
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Permanent link to this datasheet: POLYPORUSTERONE H
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