(Q104998553)

English

(3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-hexadecahydrocyclopenta[a]chrysen-9-ol

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-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Hopane-3alpha,22-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₂

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5(C)CCC(C5CCC43C)C(O)(C)C)C1(C)C

0 references

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

0 references

found in taxon

Castanopsis eyrei

1 reference

stated in

3β,22-Dihydroxyhopane and other constituents from the leaves of Castanopsis eyrei Tutch. of Hong Kong

Identifiers

InChI

InChI=1S/C30H52O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1

0 references

InChIKey

FNUXMEOWJVTJJE-DTXRQUTOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

189409

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H52O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1

(Q104998553)

(3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-hexadecahydrocyclopenta[a]chrysen-9-ol

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Identifiers

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