(Q105151118)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5a,5b,8,8,11a,13b-hexamethyl-3-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5(C)CCC(C(=C)C)C5CCC43C)C1(C)C

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isomeric SMILES

C=C(C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C

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found in taxon

Celtis laevigata

1 reference

stated in

Moretenol and other constituents of Celtis laevigata

Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22+,23-,24+,25+,27+,28+,29-,30-/m1/s1

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InChIKey

LFPVZIIPFONRSW-CQHIDPGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LFPVZIIPFONRSW-CQHIDPGZSA-N

(Q105151118)

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

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Identifiers

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