(Q104922563)

English

(3R,3aR,5aR,5bS,7aS,8S,9R,11aS,11bR,13aS,13bR)-8-methoxy-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-methoxy-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

458.412380968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₄O₂

0 references

canonical SMILES

OC1CCC2C3(C)CCC4(C)C5CCC(C(C)C)C5(C)CCC4(C)C3CCC2(C)C1(OC)C

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isomeric SMILES

CO[C@]1(C)[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC[C@H](C(C)C)[C@@]3(C)CC[C@]12C

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found in taxon

Adiantum caudatum

1 reference

stated in

Triterpenoids from Adiantum caudatum

Identifiers

InChI

InChI=1S/C31H54O2/c1-20(2)21-10-11-22-26(21,3)16-18-29(6)24-14-15-30(7)23(12-13-25(32)31(30,8)33-9)27(24,4)17-19-28(22,29)5/h20-25,32H,10-19H2,1-9H3/t21-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31-/m1/s1

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InChIKey

BAZGULPPAVJJRU-KYKCYOSMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAZGULPPAVJJRU-KYKCYOSMSA-N

(Q104922563)

(3R,3aR,5aR,5bS,7aS,8S,9R,11aS,11bR,13aS,13bR)-8-methoxy-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol

Statements

Identifiers

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