(Q104949570)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

OCC12CCC(C(=C)C)C2C3CC=C4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12

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found in taxon

Curio articulatus

2 references

stated in

Sesquiterpenes from Kleinia species

stated in

Seco-eremophilanolides from Senecio macrotis

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h9,20-22,24-25,31-32H,1,8,10-18H2,2-7H3/t20-,21+,22+,24-,25+,27-,28+,29+,30+/m0/s1

0 references

InChIKey

BYMUQHHREJQVPU-RMSYAMIHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104949570)

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

Statements

Identifiers

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