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PODOTOTARIN
SpectraBase Compound ID 7ysBSr7tc1N
InChI InChI=1S/C40H58O2/c1-23(2)33-25-13-15-31-37(5,6)17-11-19-39(31,9)29(25)21-27(35(33)41)28-22-30-26(34(24(3)4)36(28)42)14-16-32-38(7,8)18-12-20-40(30,32)10/h21-24,31-32,41-42H,11-20H2,1-10H3/t31?,32?,39-,40-/m1/s1
InChIKey RFUVOURUUJLQSB-QFFMKFBWSA-N
Mol Weight 570.9 g/mol
Molecular Formula C40H58O2
Exact Mass 570.443681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QWjLKUfm3i
Name (4bS)-3-[(4bS)-2-hydroxy-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
CAS Registry Number 2539-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O2
InChI InChI=1S/C40H58O2/c1-23(2)33-25-13-15-31-37(5,6)17-11-19-39(31,9)29(25)21-27(35(33)41)28-22-30-26(34(24(3)4)36(28)42)14-16-32-38(7,8)18-12-20-40(30,32)10/h21-24,31-32,41-42H,11-20H2,1-10H3/t31?,32?,39-,40-/m1/s1
InChIKey RFUVOURUUJLQSB-QFFMKFBWSA-N
Molecular Weight 570.902 g/mol
SMILES Oc1c(-c2c(c(c3c(c2)[C@@]2(C(CC3)C(CCC2)(C)C)C)C(C)C)O)cc2c(c1C(C)C)CCC1[C@@]2(CCCC1(C)C)C
SPLASH splash10-00or-3010190000-a0a4c7d27a545ac7ed0e
Source of Spectrum B-43-691-24
Synonyms (4bS)-3-[(4bS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol (4bS)-3-[(4bS)-4b,8,8-trimethyl-2-oxidanyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Wiley ID 1407774