(Q104990377)

English

(1R,4aR,6S,8aS)-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-6-hydroxy-5,5,8a-trimethyl-hexahydro-1H-naphthalen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-hydroxy-1-[2-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)ethyl]-5,5,8a-trimethyl-hexahydro-1H-naphthalen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

444.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₃

0 references

canonical SMILES

O=C1CCC2C(C)(C)C(O)CCC2(C)C1CCC3C(=C)CCC4C(C)(C)C(O)CCC34C

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isomeric SMILES

C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(=O)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C

0 references

found in taxon

Lycopodium clavatum

1 reference

stated in

Serratene triterpenoids fromLycopodium clavatum L. (Lycopodiaceae)

Identifiers

InChI

InChI=1S/C29H48O3/c1-18-8-12-22-26(2,3)24(31)14-16-28(22,6)19(18)9-10-20-21(30)11-13-23-27(4,5)25(32)15-17-29(20,23)7/h19-20,22-25,31-32H,1,8-17H2,2-7H3/t19-,20-,22-,23-,24-,25-,28+,29+/m0/s1

0 references

InChIKey

DVVFWIFZKRQOJA-YNGDVNFKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVVFWIFZKRQOJA-YNGDVNFKSA-N

1 reference

(Q104990377)

(1R,4aR,6S,8aS)-1-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-6-hydroxy-5,5,8a-trimethyl-hexahydro-1H-naphthalen-2-one

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Identifiers

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