CAS No. 619326-75-9

Molecular Formula: C22H31NO2

Description:
Deoxyisocalyciphylline B is isolated from the herbs of Daphniphyllum calycinum.

• Molecular Weight: 341.5
• Molecular Formula: C22H31NO2

Purity: 98%

Canonical SMILES:
CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C

InChI:
InChI=1S/C22H31NO2/c1-13-12-23-19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)25-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14-,15-,17+,19+,20+,21+,22+/m1/s1

InChIKey: NGQSEZXJVMCXSC-BPGMYFSDSA-N

• Appearance: Powder

Synonyms:
(2S,2aR,4aS,8aS,8bS,10aR,13bR,13dS)-2,8a-Dimethyl-1,2,2a,3,4,5,6, 8a,8b,9,10,10a,11,12,13b,13d-hexadecahydro-7H-8-oxa-13c-azacyclop enta[a]pentaleno[1,6-kl]phenanthren-7-one

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