(Q105272174)

English

(3S,3aS,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-9,11-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-hexadecahydrocyclopenta[a]chrysene-9,11-diol

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₃

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canonical SMILES

OC1CC(O)C2(C)C(CCC3(C)C2CCC4C5(C)CCC(C5CCC43C)C(O)(C)C)C1(C)C

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isomeric SMILES

CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)[C@@H](CC[C@]21C)C(C)(C)[C@@H](O)C[C@H]3O

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found in taxon

Mangifera indica

1 reference

stated in

Triterpenoids from Mangifera indica

Identifiers

InChI

InChI=1S/C30H52O3/c1-25(2)20-13-16-29(7)22(30(20,8)24(32)17-23(25)31)10-9-21-27(5)14-11-18(26(3,4)33)19(27)12-15-28(21,29)6/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20-,21+,22-,23-,24+,27-,28+,29+,30-/m0/s1

0 references

InChIKey

UFWDOQZJZKOECC-WJMGXSAOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFWDOQZJZKOECC-WJMGXSAOSA-N

(Q105272174)

(3S,3aS,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-9,11-diol

Statements

Identifiers

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