(Q105340499)

English

3-[(3R,3aR,6S,7S,9aS,9bS)-3a,6,9b-trimethyl-3-[(2S)-6-methylhept-5-en-2-yl]-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[3a,6,9b-Trimethyl-3-(6-methylhept-5-en-2-yl)-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

O=C(O)CCC1(C2=CCC3(C)C(CCC3(C)C2CCC1C(=C)C)C(C)CCC=C(C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@@]23C)[C@@]1(C)CCC(=O)O

0 references

found in taxon

Kadsura coccinea

1 reference

stated in

Kadsuracoccinic acids A-C, ring-A seco-lanostane triterpenes from Kadsura coccinea and their effects on embryonic cell division of Xenopus laevis

Identifiers

InChI

InChI=1S/C30H48O2/c1-20(2)10-9-11-22(5)24-14-18-30(8)26-13-12-23(21(3)4)28(6,17-16-27(31)32)25(26)15-19-29(24,30)7/h10,15,22-24,26H,3,9,11-14,16-19H2,1-2,4-8H3,(H,31,32)/t22-,23-,24+,26+,28-,29+,30-/m0/s1

0 references

InChIKey

XRIHZHOYMJHOPT-YTYFRUSZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRIHZHOYMJHOPT-YTYFRUSZSA-N

(Q105340499)

3-[(3R,3aR,6S,7S,9aS,9bS)-3a,6,9b-trimethyl-3-[(2S)-6-methylhept-5-en-2-yl]-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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