(Q105035409)

English

(3S,4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethyl-hexadecahydropicen-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4R,4aR,6aS,6aS,6bR,8aS,12aS,14aS,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₂

0 references

canonical SMILES

OCC12CCC(C)(C)CC2C3(C)CCC4(C)C5CCC(O)C(C)C5(C)CCC4C3(C)CC1

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isomeric SMILES

C[C@H]1[C@@H](O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Calophyllum calaba

1 reference

stated in

Terpenoid and biflavonoid constituents of Calophyllum calaba and Garcinia spicata from Sri Lanka

Identifiers

InChI

InChI=1S/C30H52O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h20-24,31-32H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,26+,27-,28+,29-,30+/m0/s1

0 references

InChIKey

HYPXUVMKBGUPSL-BVJUTKGLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HYPXUVMKBGUPSL-BVJUTKGLSA-N

(Q105035409)

(3S,4R,4aS,6aS,6aS,6bR,8aS,12aS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol

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