(Q105225797)

English

(3S,4aR,6aR,6bS,8aR,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,12,14b-nonamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,6b,8a,11,11,12,14b-Nonamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(C)C(C)(C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1(C)C

0 references

found in taxon

Saussurea pricei

1 reference

stated in

Triterpenoids and phenolic acids fromSaussurea pricei

Identifiers

InChI

InChI=1S/C31H52O/c1-20-25-21-10-11-23-29(7)14-13-24(32)27(4,5)22(29)12-15-31(23,9)30(21,8)19-18-28(25,6)17-16-26(20,2)3/h10,20,22-25,32H,11-19H2,1-9H3/t20-,22+,23-,24+,25+,28-,29+,30-,31-/m1/s1

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InChIKey

QQFMRPIKDLHLKB-WZEIDAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQFMRPIKDLHLKB-WZEIDAOYSA-N

(Q105225797)

(3S,4aR,6aR,6bS,8aR,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,12,14b-nonamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

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