(Q105029292)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

3a,5a,5b,8,8,11a-Hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4=C5CCC(C(C)C)C5(C)CCC43C)C1(C)C

0 references

isomeric SMILES

CC(C)[C@H]1CCC2=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]21C

0 references

found in taxon

Melicope indica

1 reference

stated in

Triterpene Constituents from the Leaves of Melicope indica.

Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23+,24-,25-,27-,28+,29-,30-/m1/s1

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InChIKey

HJJIKWDBPMITIM-UDVSOGQESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105029292)

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

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