(Q104665165)

English

(1R,3aR,5aS,5bR,7aR,9S,11aR,11bS,13aS,13bS)-3a,5b,8,8,11a,13a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,5b,8,8,11a,13a-Hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4(C)C3CCC5(C)CCC(C(=C)C)C54)C1(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]12

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found in taxon

Vernonia potamophila

1 reference

stated in

Potamopholide, a New Sesquiterpene Lactone From Vernonia potamophila

Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-9-14-27(5)15-10-23-29(7)16-11-21-26(3,4)24(31)13-18-28(21,6)22(29)12-17-30(23,8)25(20)27/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24-,25-,27+,28-,29+,30-/m0/s1

0 references

InChIKey

YJZKLPDFWOFHEJ-SJRSVWODSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJZKLPDFWOFHEJ-SJRSVWODSA-N

(Q104665165)

(1R,3aR,5aS,5bR,7aR,9S,11aR,11bS,13aS,13bS)-3a,5b,8,8,11a,13a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Statements

Identifiers

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